SCHEMBL2174455

SCHEMBL2174455

NCc1cc(C(=O)NCCc2cccc(Cl)c2)no1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
HIF1A Q16665 1/20 0.56
MAPK1 P28482 2/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2174882 0.79 HIF1A (0.54) MAPTNPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL2171406 0.78 SMN1; SMN2 (0.57) MAPTNPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL2173517 0.77 HIF1A (0.54) MAPTNPC1RAB9ASMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL2173104 0.77 SMN1; SMN2 (0.56) MAPTNPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL937744 0.75 HIF1A (0.63) MAPTNPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL2173420 0.74 TRPV1 (0.60) MAPTNPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL13210596 0.74 HIF1A (0.72) MAPTNPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL5216536 0.73 KMT2A (0.65) MAPTNPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL8218590 0.72 NPC1 (0.71) MAPTNPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL31683858 0.72 SMN1; SMN2 (0.58) MAPTNPC1RAB9ASMN1; SMN2HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 MAPT 4524/4885NPC1 1296/4885RAB9A 2862/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.